SCHEMBL3249096

SCHEMBL3249096

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(-c4csc(Nc5ccccc5Cl)n4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CSNK2A1 P68400 6/20 0.43
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
ALOX5 P09917 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
PARP1 P09874 2/20 0.39
POLB P06746 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3253478 0.91 CSNK2A2 (0.41) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL3244502 0.89 CSNK2A1 (0.49) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3241923 0.88 MAPT (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3249507 0.86 CSNK2A2 (0.48) MEN1KMT2ASMN1; SMN2CSNK2A1CSNK2A2
SCHEMBL4153887 0.86 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3241800 0.84 RAB9A (0.41) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3254676 0.82 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3244365 0.82 ABL1 (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13950963 0.81 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3250131 0.81 CDK5 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed